1,4,5-tris[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione

Systemtic Name: 1,4,5-tris[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione Openeye Name: 1,4,5-tris[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione CAS Name: 1,4,5-tris[(4-tert-butylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1,4,5-tris[(4-tert-butylphenyl)sulfanyl]anthracene-9,10-dione Traditional Name: 1,4,5-tris[(4-tert-butylphenyl)thio]-9,10-anthraquinone Formula: C44H44O2S3 MolecularWeight: 701.01396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C(C)(C)C)C(=O)C5=C(C3=O)C=CC=C5SC6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=C(C=C4)C(C)(C)C)C(=O)C5=C(C3=O)C=CC=C5SC6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C44H44O2S3/c1-42(2,3)27-13-19-30(20-14-27)47-34-12-10-11-33-37(34)41(46)39-36(49-32-23-17-29(18-24-32)44(7,8)9)26-25-35(38(39)40(33)45)48-31-21-15-28(16-22-31)43(4,5)6/h10-26H,1-9H3